Li3VO4
trilithium orthovanadate · LVO
Li3VO4 is a stable lithium-containing oxide material primarily studied for its potential applications in high-performance battery electrodes.
About trilithium orthovanadate
Li3VO4 is a thermodynamically stable lithium oxide characterized by its wide-gap insulating electronic profile. As a member of the orthovanadate family, it has garnered significant interest in materials science due to its structural robustness and favorable electrochemical properties. Its position on the convex hull underscores its inherent stability, making it a reliable subject for structural and functional studies. The compound is primarily investigated for its potential to facilitate ion transport, which is critical for the development of next-generation energy storage systems. Its ability to accommodate lithium ions within its lattice framework makes it a compelling candidate for anode research, where structural integrity during cycling is paramount.
Key Properties
Cross-validated computational properties for trilithium orthovanadate, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li3VO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 4.03 | 0.0000 | -6.828 | 2.70 |
| Pnma (No. 62) | orthorhombic | 3.95 | 0.0053 | -6.823 | 2.63 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.47 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.53 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.70 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.63 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.54 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li3VO4.
Applications
Where trilithium orthovanadate is used.
Frequently Asked Questions
Common questions about trilithium orthovanadate, answered from cross-validated data.
What is Li3VO4?
Li3VO4 is a stable lithium-containing oxide material primarily studied for its potential applications in high-performance battery electrodes.
What is Li3VO4 used for?
What is the band gap of Li3VO4?
Is Li3VO4 a metal, semiconductor, or insulator?
Is Li3VO4 thermodynamically stable?
What is the crystal structure of Li3VO4?
What is the density of Li3VO4?
How many polymorphs of Li3VO4 are known?
How is Li3VO4 synthesized?
What elements does Li3VO4 contain?
Where does the data for Li3VO4 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely commercialized cathode materials such as LiCoO2 or LiMn2O4, which are known for their high operating potentials, Li3VO4 is typically explored for its distinct electrochemical behavior as an anode material. While Li2O serves as a fundamental building block in lithium-based oxide systems, Li3VO4 offers a more complex structural environment that allows for unique lithium insertion mechanisms, setting it apart from simpler oxides like Li4SiO4 or the layered transition metal oxides.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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